SCHEMBL8896481

SCHEMBL8896481

C#CCN(CC#C)C(=O)c1ccc(OCCCCOc2c(C)cc(O)cc2CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PLA2G4B P0C869 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8910425 0.98 MAOB (0.42) MAOBTP53TSHRPOLBHRH3
SCHEMBL8909764 0.94 MAOB (0.48) MAOBTP53TSHRPOLBHRH3
SCHEMBL8894397 0.91 MAOB (0.46) MAOBPOLBHRH3PLA2G4BMAPT
SCHEMBL8894361 0.86 TP53 (0.43) TP53TSHRPOLBHRH3PLA2G4B
SCHEMBL8895512 0.84 POLB (0.42) TP53TSHRPOLBHRH3PLA2G4B
SCHEMBL8894757 0.83 LSS (0.41) TP53TSHRPOLBMAPTALDH1A1
SCHEMBL8910613 0.81 MAPT (0.41) POLBHRH3PLA2G4BMAPTNPC1
SCHEMBL8894156 0.79 MAOB (0.44) MAOBTP53POLBHRH3MAPT
SCHEMBL8897483 0.78 MAOB (0.42) MAOBTP53TSHRPOLBHRH3
SCHEMBL8894804 0.77 POLB (0.46) TP53TSHRPOLBHRH3PLA2G4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed